1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one

C15H17N3O — CID 66155105

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one
SMILESCCn1cncc1CN1CCC(=O)c2ccccc21
InChIInChI=1S/C15H17N3O/c1-2-17-11-16-9-12(17)10-18-8-7-15(19)13-5-3-4-6-14(13)18/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyPCOKLLNUXHCDFS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.50
Rot. Bonds3

About 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one

1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one (PubChem CID 66155105) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one
PubChem CID66155105
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one
SMILESCCn1cncc1CN1CCC(=O)c2ccccc21
InChIInChI=1S/C15H17N3O/c1-2-17-11-16-9-12(17)10-18-8-7-15(19)13-5-3-4-6-14(13)18/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyPCOKLLNUXHCDFS-UHFFFAOYSA-N
XLogP2.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one (CID 66155105) is 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one is CCn1cncc1CN1CCC(=O)c2ccccc21.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one?
The InChIKey is PCOKLLNUXHCDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-17-11-16-9-12(17)10-18-8-7-15(19)13-5-3-4-6-14(13)18/h3-6,9,11H,2,7-8,10H2,1H3.
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one?
1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 66155105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).